BAS 00410955
TL;DR: BAS 00410955 (CAS 299947-39-0) is a chemical compound with molecular formula C20H22BrNO3 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410955, AB00086489-01, methyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3 -carboxylate
| Molecular Formula | C20H22BrNO3 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 4.2261 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.0783 |
| Heavy Atoms | 25 |
| Complexity | 819.9851 |
Chemical Identifiers
| CAS Number | 299947-39-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OC |
Product Overview
BAS 00410955 (CAS 299947-39-0), with molecular formula C20H22BrNO3 and molecular weight 403.08 g/mol. IUPAC: methyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410955
Property Insights of BAS 00410955
The XLogP value of 4.2261 indicates that BAS 00410955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00410955 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00410955 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00410955?
The CAS number of BAS 00410955 is 299947-39-0.
What is the molecular formula of BAS 00410955?
The molecular formula of BAS 00410955 is C20H22BrNO3.
What is the molecular weight of BAS 00410955?
The molecular weight of BAS 00410955 is 403.08 g/mol.
Where can I buy BAS 00410955?
You can request a quote for BAS 00410955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410955?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.